MAGNDATA - Collection of Magnetic Structures

Symmetry operations of the magnetic space group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
3	-x+1/2,y,-z,+1	{ 2₀₁₀ \| 1/2 0 0 }
4	x,-y,-z+1/2,+1	{ 2₁₀₀ \| 0 0 1/2 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
7	x+1/2,-y,z,+1	{ m₀₁₀ \| 1/2 0 0 }
8	-x,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
(1/2,1/2,1/2)' + set click here to show and hide
9	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
10	-x,-y+1/2,z,-1	{ 2'₀₀₁ \| 0 1/2 0 }
11	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
12	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
13	-x+1/2,-y+1/2,-z+1/2,-1	{ -1' \| 1/2 1/2 1/2 }
14	x,y+1/2,-z,-1	{ m'₀₀₁ \| 0 1/2 0 }
15	x,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 0 1/2 1/2 }
16	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }

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Symmetry operations of the magnetic point group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	-x,y,-z,+1	2₀₁₀
4	x,-y,-z,+1	2₁₀₀
5	-x,-y,-z,+1	-1
6	x,y,-z,+1	m₀₀₁
7	x,-y,z,+1	m₀₁₀
8	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-x,-y,z,-1	2'₀₀₁
11	-x,y,-z,-1	2'₀₁₀
12	x,-y,-z,-1	2'₁₀₀
13	-x,-y,-z,-1	-1'
14	x,y,-z,-1	m'₀₀₁
15	x,-y,z,-1	m'₀₁₀
16	-x,y,z,-1	m'₁₀₀

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ir1	Ir	0	0.25	0.375	8	m_x,m_y,0	-0.24(4)	0.0	0.0	0.24

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Sr1	Sr	0	0.25	0.5506	8
Sr1_1	Sr	0	0.75	0.8006	8
O1	O	0	0.25	0.45472	8
O1_1	O	0	0.75	0.70472	8
O2	O	0.2001	0.4501	0.125	16

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Magnetic atoms:

Set of atoms in the unit cell related by symmetry with the magnetic atom Ir1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.25000	0.37500	m_x,m_y,0	-0.24000	0.00000	0.00000
2	0.50000	0.25000	0.62500	-m_x,m_y,0	0.24000	0.00000	0.00000
3	0.00000	0.75000	0.62500	m_x,m_y,0	-0.24000	0.00000	0.00000
4	0.50000	0.75000	0.37500	-m_x,m_y,0	0.24000	0.00000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
5	0.50000	0.75000	0.87500	-m_x,-m_y,0	0.24000	0.00000	0.00000
6	0.00000	0.75000	0.12500	m_x,-m_y,0	-0.24000	0.00000	0.00000
7	0.50000	0.25000	0.12500	-m_x,-m_y,0	0.24000	0.00000	0.00000
8	0.00000	0.25000	0.87500	m_x,-m_y,0	-0.24000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Sr1:

Atom	x	y	z
1	0.00000	0.25000	0.55060
2	0.50000	0.25000	0.44940
3	0.00000	0.75000	0.44940
4	0.50000	0.75000	0.55060
(1/2,1/2,1/2)' + set click here to show and hide
5	0.50000	0.75000	0.05060
6	0.00000	0.75000	0.94940
7	0.50000	0.25000	0.94940
8	0.00000	0.25000	0.05060

Set of atoms in the unit cell related by symmetry with the atom Sr1_1:

Atom	x	y	z
1	0.00000	0.75000	0.80060
2	0.50000	0.75000	0.19940
3	0.00000	0.25000	0.19940
4	0.50000	0.25000	0.80060
(1/2,1/2,1/2)' + set click here to show and hide
5	0.50000	0.25000	0.30060
6	0.00000	0.25000	0.69940
7	0.50000	0.75000	0.69940
8	0.00000	0.75000	0.30060

Set of atoms in the unit cell related by symmetry with the atom O1:

Atom	x	y	z
1	0.00000	0.25000	0.45472
2	0.50000	0.25000	0.54528
3	0.00000	0.75000	0.54528
4	0.50000	0.75000	0.45472
(1/2,1/2,1/2)' + set click here to show and hide
5	0.50000	0.75000	0.95472
6	0.00000	0.75000	0.04528
7	0.50000	0.25000	0.04528
8	0.00000	0.25000	0.95472

Set of atoms in the unit cell related by symmetry with the atom O1_1:

Atom	x	y	z
1	0.00000	0.75000	0.70472
2	0.50000	0.75000	0.29528
3	0.00000	0.25000	0.29528
4	0.50000	0.25000	0.70472
(1/2,1/2,1/2)' + set click here to show and hide
5	0.50000	0.25000	0.20472
6	0.00000	0.25000	0.79528
7	0.50000	0.75000	0.79528
8	0.00000	0.75000	0.20472

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.20010	0.45010	0.12500
2	0.29990	0.54990	0.62500
3	0.29990	0.45010	0.87500
4	0.20010	0.54990	0.37500
5	0.79990	0.54990	0.87500
6	0.70010	0.45010	0.37500
7	0.70010	0.54990	0.12500
8	0.79990	0.45010	0.62500
(1/2,1/2,1/2)' + set click here to show and hide
9	0.70010	0.95010	0.62500
10	0.79990	0.04990	0.12500
11	0.79990	0.95010	0.37500
12	0.70010	0.04990	0.87500
13	0.29990	0.04990	0.37500
14	0.20010	0.95010	0.87500
15	0.20010	0.04990	0.62500
16	0.29990	0.95010	0.12500

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ir1	Ir	0	0.25	0.375	8	m_x,m_y,0	-0.24(4)	0.0	0.0	0.24

label	dim. full irrep	dim. small irrep	direction	action
mM4	2	2	special	primary

MAGNDATA: A Collection of magnetic structures with portable cif-type files